Structure Database (LMSD)

Common Name
Limonene-1,2-epoxide
Systematic Name
Synonyms
LM ID
LMPR0102090015
Status
Active
Exact Mass
Calculate m/z
152.120115
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
CCEFMUBVSUDRLG-XNWIYYODSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m1/s1
SMILES (Click to copy)
C12(C)CC[C@@H](C(C)=C)CC1O2

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 162.99
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.09
Molar Refractivity 46.46

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Created at
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Updated at
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